3-(3,4-dimethylanilino)-N-(2-ethoxyphenyl)propanamide

C19H24N2O2 — CID 109035537

IUPAC3-(3,4-dimethylanilino)-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCNc1ccc(C)c(C)c1
InChIInChI=1S/C19H24N2O2/c1-4-23-18-8-6-5-7-17(18)21-19(22)11-12-20-16-10-9-14(2)15(3)13-16/h5-10,13,20H,4,11-12H2,1-3H3,(H,21,22)
InChIKeyWRTJFRLJIFTXSL-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.14
Rot. Bonds7

About 3-(3,4-dimethylanilino)-N-(2-ethoxyphenyl)propanamide

3-(3,4-dimethylanilino)-N-(2-ethoxyphenyl)propanamide (PubChem CID 109035537) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-(3,4-dimethylanilino)-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethylanilino)-N-(2-ethoxyphenyl)propanamide
PubChem CID109035537
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3-(3,4-dimethylanilino)-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCNc1ccc(C)c(C)c1
InChIInChI=1S/C19H24N2O2/c1-4-23-18-8-6-5-7-17(18)21-19(22)11-12-20-16-10-9-14(2)15(3)13-16/h5-10,13,20H,4,11-12H2,1-3H3,(H,21,22)
InChIKeyWRTJFRLJIFTXSL-UHFFFAOYSA-N
XLogP4.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromo-4-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039314
ethyl 2-[3-(3,4-dimethylanilino)propanoylamino]benzoate
CID 109035585
3-[4-(diethylamino)anilino]-N-(2-ethoxyphenyl)propanamide
CID 109039756
N-(2-ethoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47882363
3-(4-chloro-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039788
3-(2,6-difluoroanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039796
3-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039741
2-(3,4-dimethylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54811574
N-(3,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109035452
N-(2-ethoxyphenyl)-2-(5-fluoro-2-methylanilino)acetamide
CID 2516932
3-(2-bromo-4-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039768
N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide
CID 55892840

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylanilino)-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of 3-(3,4-dimethylanilino)-N-(2-ethoxyphenyl)propanamide (CID 109035537) is 3-(3,4-dimethylanilino)-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-(3,4-dimethylanilino)-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 3-(3,4-dimethylanilino)-N-(2-ethoxyphenyl)propanamide is CCOc1ccccc1NC(=O)CCNc1ccc(C)c(C)c1.
What is the InChIKey of 3-(3,4-dimethylanilino)-N-(2-ethoxyphenyl)propanamide?
The InChIKey is WRTJFRLJIFTXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-4-23-18-8-6-5-7-17(18)21-19(22)11-12-20-16-10-9-14(2)15(3)13-16/h5-10,13,20H,4,11-12H2,1-3H3,(H,21,22).
What are the key properties of 3-(3,4-dimethylanilino)-N-(2-ethoxyphenyl)propanamide?
3-(3,4-dimethylanilino)-N-(2-ethoxyphenyl)propanamide has a molecular weight of 312.41 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylanilino)-N-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 109035537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).